SCHEMBL7074223

SCHEMBL7074223

C=CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC#N

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.47
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSK P43235 2/20 0.44
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
EGFR P00533 1/20 0.42
TACR1 P25103 2/20 0.42
ANPEP P15144 1/20 0.41
POLB P06746 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7074221 1.00 ACE (0.47) ACECTSSCTSLCTSBCTSK
SCHEMBL22686106 0.96 CTSS (0.48) ACECTSSCTSLCTSBCTSK
SCHEMBL22686097 0.92 CTSS (0.45) ACECTSSCTSLCTSBCTSK
SCHEMBL22348905 0.92 CTSS (0.45) ACECTSSCTSLCTSBCTSK
SCHEMBL23056573 0.89 HDAC1 (0.40) CTSSCTSLCTSBHDAC1HDAC6
SCHEMBL21895863 0.89 CTSS (0.43) CTSSCTSLCTSBCTSK
SCHEMBL16288777 0.89 HDAC1 (0.38) ACECTSSCTSLCTSBHDAC1
SCHEMBL21895861 0.89 CTSS (0.43) CTSSCTSLCTSBCTSK
SCHEMBL15083394 0.89 HDAC1 (0.38) ACECTSSCTSLCTSBHDAC1
SCHEMBL20630582 0.88 CTSL (0.46) CTSSCTSLCTSBCTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003059926-A2 METHODS AND COMPOSITIONS FOR AMINOACYL-tRNA SYNTHESIS UNIVERSITY OF MASSACHUSETTS (US) 2003-07-24 WO disclosed